G856-9805 Screening compound: ethyl 2-{2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}acetate

G856-9805 Screening compound: ethyl 2-{2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}acetate
G856-9805 Screening compound: ethyl 2-{2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9805
ethyl 2-{2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G856-9805

Molecular Formula

C15H16FN5O4S2 (C15 H16 FN5 O4 S2)

Compound Name

ethyl 2-{2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}acetate

IUPAC name

ethyl 2-{2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-134-thiadiazol-2-yl)sulfanyl]acetamido}acetate

SMILES

CCOC(CNC(CSc1nnc(NC(Nc(cc2)ccc2F)=O)s1)=O)=O

InChI

InChI=1S/C15H16FN5O4S2/c1-2-25-12(23)7-17-11(22)8-26-15-21-20-14(27-15)19-13(24)18-10-5-3-9(16)4-6-10/h3-6H,2,7-8H2,1H3,(H,17,22)(H2,18,19,20,24)

InChI Key

WEGCELJPZAURAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07196165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.46

Polar Surface Area

100.078

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

G856-9805 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-9805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9805?
Check Price and Availability of G856-9805, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-9805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9805
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G856-9805 available by request